Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)[C@@H](OCC2=CC(=CC=C2)[N+]([O-])=O)[C@@H](CC2=CC=CC=C2)S(=O)[C@H](CC2=CC=CC=C2)[C@@H]1OCC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=ICIXJHFOEOPEQE-FCJVTMLMSA-N

Formula

C34H34N2O9S

Mass

646.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzylether - Nitrobenzene - Nitroaromatic compound - Thiepane - 1,2-diol - C-nitro compound - Secondary alcohol - Sulfoxide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Sulfinyl compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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